3-[(3-fluorobenzoyl)amino]-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide

C16H11FN4O2S — CID 10860803

IUPAC3-[(3-fluorobenzoyl)amino]-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide
SMILESO=C(Nc1cccnc1C(=O)Nc1nccs1)c1cccc(F)c1
InChIInChI=1S/C16H11FN4O2S/c17-11-4-1-3-10(9-11)14(22)20-12-5-2-6-18-13(12)15(23)21-16-19-7-8-24-16/h1-9H,(H,20,22)(H,19,21,23)
InChIKeyMYDSGRIYBHDXLC-UHFFFAOYSA-N
MW342.36 g/mol
LogP3.18
Rot. Bonds4

About 3-[(3-fluorobenzoyl)amino]-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide

3-[(3-fluorobenzoyl)amino]-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide (PubChem CID 10860803) has the molecular formula C16H11FN4O2S and a molecular weight of 342.36 g/mol. Its IUPAC name is 3-[(3-fluorobenzoyl)amino]-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[(3-fluorobenzoyl)amino]-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide
PubChem CID10860803
Molecular FormulaC16H11FN4O2S
Molecular Weight342.36 g/mol
Exact Mass342.06
IUPAC Name3-[(3-fluorobenzoyl)amino]-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide
SMILESO=C(Nc1cccnc1C(=O)Nc1nccs1)c1cccc(F)c1
InChIInChI=1S/C16H11FN4O2S/c17-11-4-1-3-10(9-11)14(22)20-12-5-2-6-18-13(12)15(23)21-16-19-7-8-24-16/h1-9H,(H,20,22)(H,19,21,23)
InChIKeyMYDSGRIYBHDXLC-UHFFFAOYSA-N
XLogP3.18
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorobenzoyl)amino]-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide?
The IUPAC name of 3-[(3-fluorobenzoyl)amino]-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide (CID 10860803) is 3-[(3-fluorobenzoyl)amino]-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-[(3-fluorobenzoyl)amino]-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-[(3-fluorobenzoyl)amino]-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide is O=C(Nc1cccnc1C(=O)Nc1nccs1)c1cccc(F)c1.
What is the InChIKey of 3-[(3-fluorobenzoyl)amino]-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide?
The InChIKey is MYDSGRIYBHDXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4O2S/c17-11-4-1-3-10(9-11)14(22)20-12-5-2-6-18-13(12)15(23)21-16-19-7-8-24-16/h1-9H,(H,20,22)(H,19,21,23).
What are the key properties of 3-[(3-fluorobenzoyl)amino]-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide?
3-[(3-fluorobenzoyl)amino]-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide has a molecular weight of 342.36 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorobenzoyl)amino]-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 10860803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).